2-ethyl-2-(methoxymethyl)-4-methyloxane

C10H20O2 — CID 176662021

IUPAC2-ethyl-2-(methoxymethyl)-4-methyloxane
SMILESCCC1(COC)CC(C)CCO1
InChIInChI=1S/C10H20O2/c1-4-10(8-11-3)7-9(2)5-6-12-10/h9H,4-8H2,1-3H3
InChIKeyYGPPTMXWWXRMNL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About 2-ethyl-2-(methoxymethyl)-4-methyloxane

2-ethyl-2-(methoxymethyl)-4-methyloxane (PubChem CID 176662021) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethyl)-4-methyloxane.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethyl)-4-methyloxane
PubChem CID176662021
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethyl-2-(methoxymethyl)-4-methyloxane
SMILESCCC1(COC)CC(C)CCO1
InChIInChI=1S/C10H20O2/c1-4-10(8-11-3)7-9(2)5-6-12-10/h9H,4-8H2,1-3H3
InChIKeyYGPPTMXWWXRMNL-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-(methoxymethyl)-4-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
CID 75525024
2,2-Dibutyl-1,4-dioxane
CID 90108833
2,6-Dioxaspiro[4.5]decane
CID 112489929
(2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane
CID 167250613
2-Ethylenedioxy-5-methylheptane
CID 129811787
2-Butyl-2-ethyl-1,4-dioxane
CID 240150
2,2,4-trimethyltetrahydro-2H-pyran
CID 12395961
2-Butyl-2-methyloxane
CID 13494550
2-isobutyl-2-methyltetrahydro-2H-pyran
CID 13815804
2-(3,3-Dimethyloxiran-2-yl)-4-methyloxane
CID 14644112
2,2-Diethyloxane
CID 15620795
3-(2-Ethoxyethoxy)propylcyclohexane
CID 17975055

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethyl)-4-methyloxane?
The IUPAC name of 2-ethyl-2-(methoxymethyl)-4-methyloxane (CID 176662021) is 2-ethyl-2-(methoxymethyl)-4-methyloxane.
What is the SMILES notation for 2-ethyl-2-(methoxymethyl)-4-methyloxane?
The canonical SMILES for 2-ethyl-2-(methoxymethyl)-4-methyloxane is CCC1(COC)CC(C)CCO1.
What is the InChIKey of 2-ethyl-2-(methoxymethyl)-4-methyloxane?
The InChIKey is YGPPTMXWWXRMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-10(8-11-3)7-9(2)5-6-12-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-(methoxymethyl)-4-methyloxane?
2-ethyl-2-(methoxymethyl)-4-methyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethyl)-4-methyloxane is sourced from PubChem (CID 176662021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).